4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C18H17N3O2S — CID 110454351

IUPAC4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H17N3O2S/c19-18-7-2-1-6-17(18)14-8-10-16(11-9-14)24(22,23)21-13-15-5-3-4-12-20-15/h1-12,21H,13,19H2
InChIKeyIQELZGRVOSCVQN-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.81
Rot. Bonds5

About 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 110454351) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID110454351
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESNc1ccccc1-c1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C18H17N3O2S/c19-18-7-2-1-6-17(18)14-8-10-16(11-9-14)24(22,23)21-13-15-5-3-4-12-20-15/h1-12,21H,13,19H2
InChIKeyIQELZGRVOSCVQN-UHFFFAOYSA-N
XLogP2.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 110454351) is 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is Nc1ccccc1-c1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is IQELZGRVOSCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c19-18-7-2-1-6-17(18)14-8-10-16(11-9-14)24(22,23)21-13-15-5-3-4-12-20-15/h1-12,21H,13,19H2.
What are the key properties of 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110454351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).